CID 3069156

Brn 4722096

Structural Information

Molecular Formula
C20H25N3O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H25N3O4/c1-26-20-6-3-2-5-19(20)22-14-12-21(13-15-22)11-4-16-27-18-9-7-17(8-10-18)23(24)25/h2-3,5-10H,4,11-16H2,1H3
InChIKey
JBCLEFAVLCKJGJ-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-[3-(4-nitrophenoxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1845 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19178 189.7
[M+Na]+ 394.17372 192.1
[M-H]- 370.17722 195.3
[M+NH4]+ 389.21832 197.1
[M+K]+ 410.14766 183.9
[M+H-H2O]+ 354.18176 182.2
[M+HCOO]- 416.18270 207.4
[M+CH3COO]- 430.19835 211.5
[M+Na-2H]- 392.15917 193.6
[M]+ 371.18395 187.1
[M]- 371.18505 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.